Electronic Structure, Optical, and Magnetic Properties of Mn 100− x Ge x ( x  = 20, 25, and 30) Alloys Near Tetragonal–Orthorhombic Structural Phase Transition

2019 ◽  
Vol 256 (11) ◽  
pp. 1900155
Author(s):  
Shubhra Dash ◽  
Ajit K. Patra ◽  
M. Vasundhara ◽  
Alexey V. Lukoyanov ◽  
Evgenii D. Baglasov ◽  
...  
ACS Omega ◽  
2020 ◽  
Vol 5 (45) ◽  
pp. 29292-29299
Author(s):  
Mingjie Sun ◽  
Liang Bai ◽  
Wenjing Ma ◽  
Yanqing Liu ◽  
Junkai Zhang ◽  
...  

2008 ◽  
Vol 64 (6) ◽  
pp. 676-683 ◽  
Author(s):  
Hervé Muguerra ◽  
Dominique Grebille

A structural phase transition is shown around 400 K for the thermoelectric lamellar misfit cobalt oxide [Ca2CoO3][CoO2]1.62. This transition is related to a rearrangement of the central [CoO] layer of the [Ca2CoO3] slab of this structure, characterized by a commensurate intrinsic modulation q 2 = 2\over 3a * − 1\over 3c *. The partial residual disorder related to split Co and O atomic sites along the misfit b direction disappears and one can describe this layer with its triple chains as a modulated configuration with a regular and not distorted periodicity along b. This phase transition is associated with small changes observed in the transport and magnetic properties as a function of temperature.


2002 ◽  
Vol 41 (22) ◽  
pp. 5686-5692 ◽  
Author(s):  
Xiaoming Ren ◽  
Qingjin Meng ◽  
You Song ◽  
Changsheng Lu ◽  
Chuanjiang Hu ◽  
...  

2013 ◽  
Vol 2013 ◽  
pp. 1-10 ◽  
Author(s):  
S. Kanagaprabha ◽  
R. Rajeswarapalanichamy ◽  
K. Iyakutti

First principles calculations are performed using a tight-binding linear muffin-tin orbital (TB-LMTO) method with local density approximation (LDA) and atomic sphere approximation (ASA) to understand the electronic properties of transition metal hydrides (TMH) (TM = Cr, Mn, Fe, Co). The structural property, electronic structure, and magnetic properties are investigated. A pressure induced structural phase transition from cubic to hexagonal phase is predicted at the pressures of 50 GPa for CrH and 23 GPa for CoH. Also, magnetic phase transition is observed in FeH and CoH at the pressures of 10 GPa and 180 GPa, respectively.


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